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CRASSINERVIC-ACID;4-HYDROXY-3-(3',7'-DIMETHYL-3'-HYDROXY-1'-OXO-6'-OCTENYL)-BENZOIC-ACID
SpectraBase Compound ID 6LI1fXA2DKv
InChI InChI=1S/C17H22O5/c1-11(2)5-4-8-17(3,22)10-15(19)13-9-12(16(20)21)6-7-14(13)18/h5-7,9,18,22H,4,8,10H2,1-3H3,(H,20,21)
InChIKey YHANYRDRFGGDNZ-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Go5JYFlLAqb
Name CRASSINERVIC-ACID;4-HYDROXY-3-(3',7'-DIMETHYL-3'-HYDROXY-1'-OXO-6'-OCTENYL)-BENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-11(2)5-4-8-17(3,22)10-15(19)13-9-12(16(20)21)6-7-14(13)18/h5-7,9,18,22H,4,8,10H2,1-3H3,(H,20,21)
InChIKey YHANYRDRFGGDNZ-UHFFFAOYSA-N
Literature Reference Author J.H.G.LAGO,C.S.RAMOS,D.C.C.CASANOVA,A.D.A.MORANDIM,D.C.B.BER GAMO,A.J.CAVALHEIRO,
Literature Reference Citation J.NAT.PROD.,67,1783(2004)
Literature Reference DOI 10.1021/np030530j
Molecular Weight 306.359 g/mol
Solvent CDCl3
Source File Reference UWMZ6645